3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole

C39H29NO — CID 177126786

IUPAC3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2Oc2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21
InChIInChI=1S/C39H29NO/c1-39(2)33-16-7-9-18-37(33)41-38-22-20-29(25-34(38)39)27-12-10-11-26(23-27)28-19-21-36-32(24-28)31-15-6-8-17-35(31)40(36)30-13-4-3-5-14-30/h3-25H,1-2H3
InChIKeyHFMHROFTYKENMY-UHFFFAOYSA-N
MW527.67 g/mol
LogP10.55
Rot. Bonds3

About 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole

3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 177126786) has the molecular formula C39H29NO and a molecular weight of 527.67 g/mol. Its IUPAC name is 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole
PubChem CID177126786
Molecular FormulaC39H29NO
Molecular Weight527.67 g/mol
Exact Mass527.22
IUPAC Name3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2Oc2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21
InChIInChI=1S/C39H29NO/c1-39(2)33-16-7-9-18-37(33)41-38-22-20-29(25-34(38)39)27-12-10-11-26(23-27)28-19-21-36-32(24-28)31-15-6-8-17-35(31)40(36)30-13-4-3-5-14-30/h3-25H,1-2H3
InChIKeyHFMHROFTYKENMY-UHFFFAOYSA-N
XLogP10.55
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
CID 70935948
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole
CID 170042677
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
12-[4-(9,9-dimethylxanthen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 170042625
6-(9,9-dimethylxanthen-2-yl)-9-(4-methylphenyl)carbazole-3-carbonitrile
CID 121297434
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile
CID 121296752
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole (CID 177126786) is 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole is CC1(C)c2ccccc2Oc2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21.
What is the InChIKey of 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is HFMHROFTYKENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO/c1-39(2)33-16-7-9-18-37(33)41-38-22-20-29(25-34(38)39)27-12-10-11-26(23-27)28-19-21-36-32(24-28)31-15-6-8-17-35(31)40(36)30-13-4-3-5-14-30/h3-25H,1-2H3.
What are the key properties of 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole?
3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 527.67 g/mol, XLogP of 10.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 177126786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).